8000 Ohue Laboratory, Science Tokyo · GitHub
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Ohue Laboratory, Science Tokyo

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  1. boltzina boltzina Public

    Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2

    Python 106 11

  2. QEPPI QEPPI Public

    Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions

    Python 21 8

  3. PairMap PairMap Public

    PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Compound Transformations

    Python 17

  4. SpatialPPIv2 SpatialPPIv2 Public

    SpatialPPIv2: Enhancing protein–protein interaction prediction through graph neural networks with protein language models.

    Python 28 4

  5. MMGX MMGX Public

    MMGX: Multiple Molecular Graph eXplainable Discovery

    Jupyter Notebook 22 5

  6. npgpt npgpt Public

    NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models

    Jupyter Notebook 15 2

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